mp-636461-2/Ga2Ge4Pb3O14/harm

Equation of state

../../_images/fig_bm2805.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5671.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8161.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5671.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25470.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times10257.png

(a) Computation time